[2-(2-propoxyethyl)pyrazol-3-yl]methanamine

C9H17N3O — CID 106458252

IUPAC[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
SMILESCCCOCCn1nccc1CN
InChIInChI=1S/C9H17N3O/c1-2-6-13-7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3
InChIKeyGQJWBOUONXGEBN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds6

About [2-(2-propoxyethyl)pyrazol-3-yl]methanamine

[2-(2-propoxyethyl)pyrazol-3-yl]methanamine (PubChem CID 106458252) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [2-(2-propoxyethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
PubChem CID106458252
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
SMILESCCCOCCn1nccc1CN
InChIInChI=1S/C9H17N3O/c1-2-6-13-7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3
InChIKeyGQJWBOUONXGEBN-UHFFFAOYSA-N
XLogP0.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2-propoxyethyl)pyrazol-3-yl]methanamine (CID 106458252) is [2-(2-propoxyethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-propoxyethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2-propoxyethyl)pyrazol-3-yl]methanamine is CCCOCCn1nccc1CN.
What is the InChIKey of [2-(2-propoxyethyl)pyrazol-3-yl]methanamine?
The InChIKey is GQJWBOUONXGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-6-13-7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3.
What are the key properties of [2-(2-propoxyethyl)pyrazol-3-yl]methanamine?
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine has a molecular weight of 183.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 106458252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).